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Warfarin Sodium (contains Isopropyl Alcohol) - >98.0%(HPLC), high purity , Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor, CAS No.129-06-6, Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor
Vitamin K epoxide reductase inhibitor
Basic Description
Synonyms
D01AA01 | disodium pentacyano(nitroso)irondiuide dihydrate | WARFARIN SODIUM [MART.] | Warfarin, sodium deriv. | WARFARINUM NATRICUM [WHO-IP LATIN] | CHEBI:10034 | DL-warfarin sodium | EPA Pesticide Chemical Code 086003 | sodium 2-oxidanylidene-3-(3-oxida
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Vitamin K epoxide reductase inhibitor. Synthetic coumarin derivative. Shows anticoagulant effects in vivo. Orally active.
Storage Temp
Argon charged
Shipped In
Normal
Action Type
INHIBITOR
Mechanism of action
Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Building Blocks , Chemical Synthesis, Coumarins, Heterocyclic Building Blocks
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyranones and derivatives Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ketone - Lactone - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Organic sodium salt - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488199069
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488199069
IUPAC Name
sodium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
INCHI
InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1
InChIKey
KYITYFHKDODNCQ-UHFFFAOYSA-M
Smiles
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Isomeric SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
PubChem CID
16204922
UN Number
2811
Packing Group
I
Molecular Weight
330.31
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Completely soluble; Very soluble in Alcohol; Slightly soluble in Chloroform,Ether
Sensitivity
Air Sensitive
Molecular Weight
330.300 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
330.087 Da
Monoisotopic Mass
330.087 Da
Topological Polar Surface Area
66.400 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
507.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Li Jiale, Li Haoyang, Pei Shizeng, Kang Na, Zhang Guomei, Zhang Caihong, Shuang Shaomin.
(2023)
Sensitive Detection of Sulfur Dioxide by Constructing a Protein Supramolecular Complex: a New Fluorescence Sensing Strategy.
Food Analytical Methods,
16
(1):
(55-62).
2.
Yunchang Fan, Dongxu Cai, Xin Wang, Lei Yang.
(2018)
Ionic Liquids: Efficient Media for the Lipase-Catalyzed Michael Addition.
MOLECULES,
23
(9):
(2154).
3.
Dai Xiaochan, Yang Xi, Feng Yifan, Wu Xinyuan, Ju Yahan, Zou Rong, Yuan Fei.
(2025)
The role of vitamin K and its antagonist in the process of ferroptosis-damaged RPE-mediated CNV.
Cell Death & Disease,
16
(1):
(1-15).
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